Chemical Properties of Glycine, N-methyl-N-methoxycarbonyl-, octyl ester

InChI

InChI=1S/C13H25NO4/c1-4-5-6-7-8-9-10-18-12(15)11-14(2)13(16)17-3/h4-11H2,1-3H3

InChI Key

VXHZSGDBUOYAPZ-UHFFFAOYSA-N

Formula

C13H25NO4

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)OC

Molecular Weight¹

259.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-873.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.18	kJ/mol	Joback Calculated Property
ΔvapH°	86.79	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.83		Relay (1.0) Calculated Property
logPoct/wat	2.588		Crippen Calculated Property
McVol	218.890	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	564.11	K	Relay (1.0) Calculated Property
Tc	746.86	K	Relay (1.0) Calculated Property
Tfus	264.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.44; 744.26]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.11980e+01
Coefficient B			1.25316e+00
Coefficient C			-6.06800e-04
Coefficient D			6.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.44	J/mol×K	273.00	Calculated Property
Cp,gas	401.55	J/mol×K	353.78	Calculated Property
Cp,gas	466.65	J/mol×K	434.56	Calculated Property
Cp,gas	524.97	J/mol×K	515.33	Calculated Property
Cp,gas	576.72	J/mol×K	596.11	Calculated Property
Cp,gas	622.11	J/mol×K	676.89	Calculated Property
Cp,gas	661.35	J/mol×K	757.67	Calculated Property
Cp,gas	694.64	J/mol×K	838.44	Calculated Property
Cp,gas	722.21	J/mol×K	919.22	Calculated Property
Cp,gas	744.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-N-methoxycarbonyl-, octyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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